3-bromanyl-N-[(4-butylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[(4-butylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(4-butylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(4-butylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(4-butylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(4-butylphenyl)thiocarbamoyl]benzamide Formula: C18H19BrN2OS MolecularWeight: 391.32526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H19BrN2OS/c1-2-3-5-13-8-10-16(11-9-13)20-18(23)21-17(22)14-6-4-7-15(19)12-14/h4,6-12H,2-3,5H2,1H3,(H2,20,21,22,23)